5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

C8H6N4O4S — CID 45086935

IUPAC5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H6N4O4S/c1-4-5(2-10-16-4)7(13)11-8-9-3-6(17-8)12(14)15/h2-3H,1H3,(H,9,11,13)
InChIKeyJXUUSXUIHFMJGL-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.60
Rot. Bonds3

About 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 45086935) has the molecular formula C8H6N4O4S and a molecular weight of 254.23 g/mol. Its IUPAC name is 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID45086935
Molecular FormulaC8H6N4O4S
Molecular Weight254.23 g/mol
Exact Mass254.01
IUPAC Name5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H6N4O4S/c1-4-5(2-10-16-4)7(13)11-8-9-3-6(17-8)12(14)15/h2-3H,1H3,(H,9,11,13)
InChIKeyJXUUSXUIHFMJGL-UHFFFAOYSA-N
XLogP1.60
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 11587226
2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
CID 7113449
3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 175919780
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 19439782
2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107951779
2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105380941
N-(5-nitro-1,3-thiazol-2-yl)-2-propylsulfanylbenzamide
CID 17310438
3-methyl-N-(5-nitro-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3597790
ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 45086935) is 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is JXUUSXUIHFMJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O4S/c1-4-5(2-10-16-4)7(13)11-8-9-3-6(17-8)12(14)15/h2-3H,1H3,(H,9,11,13).
What are the key properties of 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 254.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 45086935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).